SCHEMBL461810

SCHEMBL461810

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)[C@@H](N)Cc3ccc(O)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.54
ACACB O00763 2/20 0.45
LNPEP Q9UIQ6 3/20 0.45
BACE1 P56817 2/20 0.44
ERAP1 Q9NZ08 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL437218 0.93 ERAP2 (0.47) ERAP2ACACB
SCHEMBL405116 0.93 ACACB (0.49) ERAP2ACACB
SCHEMBL400779 0.91 ACACB (0.46) ACACB
SCHEMBL10286738 0.91 ERAP2 (0.56) ERAP2LNPEPBACE1ERAP1
SCHEMBL402228 0.86
SCHEMBL4889762 0.86 ERAP2 (0.43) ERAP2ACACB
SCHEMBL4889748 0.86 ERAP2 (0.43) ERAP2ACACB
SCHEMBL405324 0.85 AAK1 (0.46)
SCHEMBL405146 0.84
SCHEMBL403262 0.84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ERAP2 1084/4885ACACB 3199/4885LNPEP 1007/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ERAP2 1084/4885ACACB 3199/4885LNPEP 1007/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ERAP2 1084/4885ACACB 3199/4885LNPEP 1007/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ERAP2 1084/4885ACACB 3199/4885LNPEP 1007/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ERAP2 1084/4885ACACB 3199/4885LNPEP 1007/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ERAP2 1084/4885ACACB 3199/4885LNPEP 1007/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.